Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
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 PubChem ID
CID: 44586455
Canonical SMILES
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O
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Compound Formula C32H34F2N4O4
Compound Structure
Protein Name
 Protein Info 
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A1A subfamily
Uniprot ID
P56817
Gene Name
BACE1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22 nM